(E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylamide Formula: C15H13N5O5S MolecularWeight: 375.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)/C(=C/C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C15H13N5O5S/c1-3-12-18-19-15(26-12)17-14(22)9(7-16)4-8-5-10(20(23)24)13(21)11(6-8)25-2/h4-6,21H,3H2,1-2H3,(H,17,19,22)/b9-4+